1-(3-chlorophenyl)ethenamine

C8H8ClN — CID 144912576

IUPAC1-(3-chlorophenyl)ethenamine
SMILESC=C(N)c1cccc(Cl)c1
InChIInChI=1S/C8H8ClN/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1,10H2
InChIKeyHMMOYPXCZACRGH-UHFFFAOYSA-N
MW153.61 g/mol
LogP2.27
Rot. Bonds1

About 1-(3-chlorophenyl)ethenamine

1-(3-chlorophenyl)ethenamine (PubChem CID 144912576) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol. Its IUPAC name is 1-(3-chlorophenyl)ethenamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)ethenamine
PubChem CID144912576
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Name1-(3-chlorophenyl)ethenamine
SMILESC=C(N)c1cccc(Cl)c1
InChIInChI=1S/C8H8ClN/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1,10H2
InChIKeyHMMOYPXCZACRGH-UHFFFAOYSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-[1-(3-chlorophenyl)ethenyl]benzene
CID 10243768
2-(3-chlorophenyl)prop-2-enenitrile
CID 21447869
2-chloro-1-(3-chlorophenyl)prop-2-en-1-one
CID 23626689
3-(3-chlorophenyl)-2-methylbut-3-en-2-ol
CID 135085879
1,3-dichlorobenzene;guanidine
CID 174959611
1-chloro-3-[(2E)-4-methylpenta-2,4-dien-2-yl]benzene
CID 143764224
(Z)-3-amino-3-(3-chlorophenyl)prop-2-enoic acid
CID 69004283
1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine
CID 164968478
3-(1-aminoethenyl)-N,N-dimethylaniline
CID 163229020
1-(3-chlorophenyl)ethanethione
CID 89040141
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)ethenamine?
The IUPAC name of 1-(3-chlorophenyl)ethenamine (CID 144912576) is 1-(3-chlorophenyl)ethenamine.
What is the SMILES notation for 1-(3-chlorophenyl)ethenamine?
The canonical SMILES for 1-(3-chlorophenyl)ethenamine is C=C(N)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)ethenamine?
The InChIKey is HMMOYPXCZACRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1,10H2.
What are the key properties of 1-(3-chlorophenyl)ethenamine?
1-(3-chlorophenyl)ethenamine has a molecular weight of 153.61 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)ethenamine is sourced from PubChem (CID 144912576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).